Pentadecane-d₃₂ - ≥98 atom% D,≥98% , CAS No.36340-20-2

CAS: 36340-20-2 Cat. No.: P472136 Formula: C₁₅D₃₂ Molecular Weight: 244.61 EC Number: 106-331-8

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

D98388 | DTXSID50584062 | N-Pentadecane-d32 | Pentadecane-d32 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-dotriacontadeuteriopentadecane | (~2~H_32_)Pentadecane | DEUTERATED PENTADECANE | HY-N7926S | Pentadecane-d32, 98

Storage

Room temperature

Specifications

Synonyms

D98388 | DTXSID50584062 | N-Pentadecane-d32 | Pentadecane-d32 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-dotriacontadeuteriopentadecane | (~2~H_32_)Pentadecane | DEUTERATED PENTADECANE | HY-N7926S | Pentadecane-d32, 98

Specifications & Purity

≥98 atom% D,≥98%

Storage

Room temperature

Purity

≥98 atom% D,≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCC
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-dotriacontadeuteriopentadecane
• InChIKey: YCOZIPAWZNQLMR-UBTWNIDWSA-N
• INCHI: 1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• Alternate CAS: 629-62-9（unlabeled）
• Molecular Weight: 244.61
• Reaxy-Rn: 1698194
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• x_refractive_index: 1.432 (lit.)
• x_boil_point_char: 270 °C (lit.)
• x_melt_point_char: 8-10 °C (lit.)
• Molecular Weight: 244.610 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 244.451 Da
• Monoisotopic Mass: 244.451 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 84.200
• Isotope Atom Count: 32
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1